| CAS Number | 1909313-63-8 |
| Catalog Number | AG01C2M3 |
| Chemical Name | 1-(2,2-Diethoxyethyl)-1H-Pyrazole-4-Carboxylic Acid |
| IUPAC Name | 1-(2,2-diethoxyethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H16N2O4/c1-3-15-9(16-4-2)7-12-6-8(5-11-12)10(13)14/h5-6,9H,3-4,7H2,1-2H3,(H,13,14) |
| InChI Key | IZGTZXQRQNHNFW-UHFFFAOYSA-N |
| MDL Number | MFCD29055052 |
| Molecular Formula | C10H16N2O4 |
| Molecular Weight | 228.245 |
| SMILES | O=C(C1=CN(CC(OCC)OCC)N=C1)O |
| Synonyms | 1909313-63-8,
1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylic acid,
ZINC299805322,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.248g/mol |
| Monoisotopic Mass | 228.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number